N-[2-(4-methoxyphenyl)ethyl]-5-[[(3-nitrophenyl)carbonyl-phenethyl-amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-5-[[(3-nitrophenyl)carbonyl-phenethyl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-5-[[(3-nitrobenzoyl)-phenethyl-amino]methyl]isoxazole-3-carboxamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-5-[[[(3-nitrophenyl)-oxomethyl]-phenethylamino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-5-[[(3-nitrobenzoyl)-phenethylamino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-5-[[(3-nitrobenzoyl)-phenethyl-amino]methyl]isoxazole-3-carboxamide Formula: C29H28N4O6 MolecularWeight: 528.55582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C2=NOC(=C2)CN(CCC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C2=NOC(=C2)CN(CCC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H28N4O6/c1-38-25-12-10-22(11-13-25)14-16-30-28(34)27-19-26(39-31-27)20-32(17-15-21-6-3-2-4-7-21)29(35)23-8-5-9-24(18-23)33(36)37/h2-13,18-19H,14-17,20H2,1H3,(H,30,34)